2,4-Dimethylquinoline - ≥95%(GC) , CAS No.1198-37-4

CAS: 1198-37-4 Cat. No.: D123636 Molecular Weight: 157.21 Beilstein Registry Number: 114230 EC Number: 214-832-9

GRADE & PURITY ≥95%(GC)

Synonyms

Quinoline, 2,4-dimethyl- | BDBM50159255 | NSC 62132 | NSC62132 | 24-DIMETHYLQUINOLINE | A804370 | MFCD00006760 | Quinoline,4-dimethyl- | AI3-08881 | DTXSID0061610 | F19196 | UNII-7JL3KN3WTD | Z276653744 | 4-Methylquinaldine | NSC-62132 | D1237 | InChI=1/C

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Quinoline, 2, 4-dimethyl- | BDBM50159255 | NSC 62132 | NSC62132 | 24-DIMETHYLQUINOLINE | A804370 | MFCD00006760 | Quinoline, 4-dimethyl- | AI3-08881 | DTXSID0061610 | F19196 | UNII-7JL3KN3WTD | Z276653744 | 4-Methylquinaldine | NSC-62132 | D1237 | InChI=1/C

Specifications & Purity

≥95%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥95%(GC)

Names and Identifiers

• Pubchem Sid: 488182002
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182002
• Canonical Smiles: CC1=CC(=NC2=CC=CC=C12)C
• IUPAC Name: 2,4-dimethylquinoline
• InChIKey: ZTNANFDSJRRZRJ-UHFFFAOYSA-N
• INCHI: 1S/C11H11N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h3-7H,1-2H3
• Isomeric SMILES: CC1=CC(=NC2=CC=CC=C12)C
• Molecular Weight: 157.21
• Beilstein: 114230
• Reaxy-Rn: 114230
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114230&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Methylpyridines Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP2A6 Tchem Cytochrome P450 2A6 (2861 Activities)

Discover Target: CYP2A6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Cyp2a5 Cytochrome P450 2A5 (126 Activities)

Discover Target: Cyp2a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Refractive Index: 1.6040 - 1.6090
• Flash Point(°F): >110°C (230°F)
• Flash Point(°C): >110°C(230°F)
• Boil Point(°C): 159°C/18mmHg
• Molecular Weight: 157.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 157.089 Da
• Monoisotopic Mass: 157.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 155.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Yu-Le Wang, Songhai Wu, Yu-Zhen Xu, Yu-Dong Shan, Yong Liu, Xu Han.  (2025)  Importance of surface peroxo species in the epoxidation of cyclohexene by Mo-doped TS-1 and O2 under solvent-free conditions.  Catalysis Science & Technology,      [PMID:] [10.1039/D5CY01095K]